2-(benzotriazol-2-yl)-N-methyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]acetamide

C17H16N8O — CID 91785545

IUPAC2-(benzotriazol-2-yl)-N-methyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]acetamide
SMILESCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)Cn1nc2ccccc2n1
InChIInChI=1S/C17H16N8O/c1-24(10-12-5-4-6-13(9-12)17-18-22-23-19-17)16(26)11-25-20-14-7-2-3-8-15(14)21-25/h2-9H,10-11H2,1H3,(H,18,19,22,23)
InChIKeyZWCIMIWIEXBPRS-UHFFFAOYSA-N
MW348.37 g/mol
LogP1.27
Rot. Bonds5

About 2-(benzotriazol-2-yl)-N-methyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]acetamide

2-(benzotriazol-2-yl)-N-methyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]acetamide (PubChem CID 91785545) has the molecular formula C17H16N8O and a molecular weight of 348.37 g/mol. Its IUPAC name is 2-(benzotriazol-2-yl)-N-methyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(benzotriazol-2-yl)-N-methyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]acetamide
PubChem CID91785545
Molecular FormulaC17H16N8O
Molecular Weight348.37 g/mol
Exact Mass348.14
IUPAC Name2-(benzotriazol-2-yl)-N-methyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]acetamide
SMILESCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)Cn1nc2ccccc2n1
InChIInChI=1S/C17H16N8O/c1-24(10-12-5-4-6-13(9-12)17-18-22-23-19-17)16(26)11-25-20-14-7-2-3-8-15(14)21-25/h2-9H,10-11H2,1H3,(H,18,19,22,23)
InChIKeyZWCIMIWIEXBPRS-UHFFFAOYSA-N
XLogP1.27
TPSA105.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(2,4-dioxopyrimidin-1-yl)-N-methyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]propanamide
CID 90651564
2-(4-chlorophenyl)-N-methyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]propanamide
CID 91777143
2-(3-hydroxyphenyl)-N-methyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]propanamide
CID 166341757
3-(3-but-3-ynyldiazirin-3-yl)-N-methyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]propanamide
CID 166418818
N-methyl-2-methylsulfanyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 91771867
2,6-dimethoxy-N-methyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]pyridine-3-carboxamide
CID 91795809
1-benzyl-N-[2-[methyl-[[4-(2H-tetrazol-5-yl)phenyl]methyl]amino]-2-oxoethyl]benzimidazole-2-carboxamide
CID 44580014
N-methyl-2-oxo-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
CID 90649019
N-benzyl-N-methyl-2-(2H-tetrazol-5-yl)acetamide
CID 110498034
N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[methyl-[[3-(2H-tetrazol-5-yl)phenyl]methyl]amino]acetamide
CID 91844210
N-[[3-(methoxymethyl)phenyl]methyl]-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide
CID 70802934
(3S)-N-methyl-3-methylsulfanyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]butan-1-amine
CID 99939871

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-2-yl)-N-methyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]acetamide?
The IUPAC name of 2-(benzotriazol-2-yl)-N-methyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]acetamide (CID 91785545) is 2-(benzotriazol-2-yl)-N-methyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(benzotriazol-2-yl)-N-methyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(benzotriazol-2-yl)-N-methyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]acetamide is CN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)Cn1nc2ccccc2n1.
What is the InChIKey of 2-(benzotriazol-2-yl)-N-methyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]acetamide?
The InChIKey is ZWCIMIWIEXBPRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N8O/c1-24(10-12-5-4-6-13(9-12)17-18-22-23-19-17)16(26)11-25-20-14-7-2-3-8-15(14)21-25/h2-9H,10-11H2,1H3,(H,18,19,22,23).
What are the key properties of 2-(benzotriazol-2-yl)-N-methyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]acetamide?
2-(benzotriazol-2-yl)-N-methyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]acetamide has a molecular weight of 348.37 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-2-yl)-N-methyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]acetamide is sourced from PubChem (CID 91785545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).